4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine

C13H22N2O — CID 65378823

IUPAC4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine
SMILESCOCCC(C)(CN)Nc1cccc(C)c1
InChIInChI=1S/C13H22N2O/c1-11-5-4-6-12(9-11)15-13(2,10-14)7-8-16-3/h4-6,9,15H,7-8,10,14H2,1-3H3
InChIKeyPPIMQKMVXJMXFA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.16
Rot. Bonds6

About 4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine

4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine (PubChem CID 65378823) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine
PubChem CID65378823
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine
SMILESCOCCC(C)(CN)Nc1cccc(C)c1
InChIInChI=1S/C13H22N2O/c1-11-5-4-6-12(9-11)15-13(2,10-14)7-8-16-3/h4-6,9,15H,7-8,10,14H2,1-3H3
InChIKeyPPIMQKMVXJMXFA-UHFFFAOYSA-N
XLogP2.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 65376955
4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine
CID 65376497
2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine
CID 65384910
2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine
CID 65379404
2-N-(3-methoxyphenyl)-2,4-dimethylpentane-1,2-diamine
CID 65377532
methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate
CID 62535893
1-tert-butyl-1-(methoxymethyl)-2-(3-methylphenyl)hydrazine
CID 57314053
1-(3-methylanilino)ethane-1,1-diol
CID 54318921
N-(1,3-dimethoxypropan-2-yl)-3-methylaniline
CID 13275408
methyl 2-methyl-2-(3-methylanilino)octanoate
CID 63524625
methyl 6,6,6-trifluoro-2-methyl-2-(3-methylanilino)hexanoate
CID 116535546
2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol
CID 61047781

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine?
The IUPAC name of 4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine (CID 65378823) is 4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine?
The canonical SMILES for 4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine is COCCC(C)(CN)Nc1cccc(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine?
The InChIKey is PPIMQKMVXJMXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-5-4-6-12(9-11)15-13(2,10-14)7-8-16-3/h4-6,9,15H,7-8,10,14H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine?
4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-2-N-(3-methylphenyl)butane-1,2-diamine is sourced from PubChem (CID 65378823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).